Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 7-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK407117
SMILES COc1cc(ccc1OC(C)C)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(o1)C)C(=O)OCC1CCCO1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C31H37NO7 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37NO7/c1-17(2)38-25-11-9-20(15-27(25)35-5)21-13-23-29(24(33)14-21)30(26-10-8-18(3)39-26)28(19(4)32-23)31(34)37-16-22-7-6-12-36-22/h8-11,15,17,21-22,30,32H,6-7,12-14,16H2,1-5H3InChIKey
IWBKTFLUPHSHET-UHFFFAOYSA-NSynonyms
CC1=CC=C(O1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC(C)C)OC)NC(=C2C(=O)OCC5CCCO5)C
InChI=1SC31H37NO7c117(2)382511920(1527(25)355)21132329(24(33)1421)30(2610818(3)3926)28(19(4)3223)31(34)37162276123622h811151721223032H67121416H215H3
MFCD06627598
oxolan2ylmethyl7(3methoxy4propan2yloxyphenyl)2methyl4(5methylfuran2yl)5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl7(3methoxy4(propan2yloxy)phenyl)2methyl4(5methylfuran2yl)5oxo145678hexahydroquinoline3carboxylate
ZINC000016426460
ZINC000239119588
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